In the current work, aromatic amines and alkyl halides have been converted to the corresponding azides 2a‒d and 4a-d by the reaction with sodium nitrite and sodium azide respectively for amines and sodium azide for halides. Then, dipropargyl ether derivative of D-mannose 8 has been synthesized from diacetone mannose that has been obtained by the treatment of D-mannose (5) with dry acetone in the presence of sulfuric acid. Then, aldol condensation has been used to prepare diol 7 from the mannose diacetonide 6. The reaction of compound 7 with propargyl bromide in alkaline media has been afforded dipropargyl

Dipeptidyl peptidase-4 DPP-4 inhibition has remained one of the most established ways in treating type 2 diabetes mellitus. Therefore, the development of improved DPP-4 inhibiters is consideredan essential strategy in the design of antidiabetic drugs. In the present study, a structure-based virtual approach was considered to design and evaluate new sitagliptin analogues with improved binding stability and pharmacokinetic properties. A virtual library consisting of 15,034 different compounds was created and then screened using a hierarchical Glide docking protocol (HTVS, SP, and XP). Using integrated computational analyses, the top ranked compounds were further assessed. Based on ADMET predictions, MM-GBSA binding free energy

في إطار نموذج القشرة، تم اعتماد الدوال الموجية أحادية الجسيم لتقريب هاتري - فوك مع تفاعلات سكيرم  مثل Skxtb, Skxs25, , Sly4وBsk9 لحساب سمك القشرة النيوتروني، ونصف قطر المرآتي ونصف قطر الشحنة المرآتية ، لزوج النوى المرآتية 18Ne-18O. تم حساب الدوال الموجية باستخدام كود نموذج القشرة NuShellX@MSU. تتأثر القيم المحسوبة لجذر متوسط ​نصف القطر المربع بنوع التفاعلات المستخدمة. كما تم تحديد طاقة التناظر وانحدارها عند كثافة التشبع الن

Within the framework of the shell model, the single-particle wave functions of Hartree-Fock approximation adopted with Skyrme interactions like kxtb, Skxs25, Sly4 and Bsk9 to get the thickness of the neutron skin, the mirror radii and the charges mirror radii for 18Ne-18O pair mirror nucleus. The wave functions were calculated using the NuShellX@MSU shell model code. The computed values of root-mean-square-radii are inuenced by the type of interaction employed. The symmetry energy and its slope at nuclear saturation density and the mirror energy displacement were also determined. Comparisons between theoretical and experimental data were made and it was concluded that the data are well described in of this pair mirror nucleus

A series of liquid crystals comprising a heterocyclics dihydro pyrrole and 1,2,3-triazole rings [VII]-[X] were synthesized by many steps starting from a reaction of 3,3'-dimethyl-[1,1'-biphenyl]- 4,4'-diamine with chloroacetyl chloride in a mixture of solutions DMF and TEA to synthesise the compounds [I], then the compounds [I] reacted with malononitrile in 1,4-dioxane and TEA solutions to produce compounds [II], then the first step is repeated with compound [II] where it reacted with chloroacetyl chloride in mixture of DMF and TEA to give compound [III], this compound reacted with sodium azide in the presence of sodium chloride and DMF as solvent to produce the compound [IV], which reacted with acrylic acid by a 1.3 dipolar reaction in sol

Accurate emotion categorization is an important and challenging task in computer vision and image processing fields. Facial emotion recognition system implies three important stages: Prep-processing and face area allocation, feature extraction and classification. In this study a new system based on geometric features (distances and angles) set derived from the basic facial components such as eyes, eyebrows and mouth using analytical geometry calculations. For classification stage feed forward neural network classifier is used. For evaluation purpose the Standard database "JAFFE" have been used as test material; it holds face samples for seven basic emotions. The results of conducted tests indicate that the use of suggested distances, angles